Structure Information
Structure

Compound Identification

SMILES

OCC1O[C@@H](OC2=CC(=CC(O)=C2O)C2=C(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C=C3C(O[C@@H]4OC(COC(=O)\C=C\C5=CC(O)=C(O)C=C5)[C@@H](O)[C@H](O)C4O)=CC(O)=CC3=[O+]2)C(O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=BIBNUKILYWNEFA-PDJZORSRSA-O

Formula

C42H47O25

Mass

951.812

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavonoid glycosides

Intermediate Tree Nodes

Flavonoid O-glycosides - Flavonoid 5-O-p-coumaroyl glycosides - Anthocyanidin 5-O-p-coumaroyl glycosides

Direct Parent

Anthocyanidin 5-O-6-p-coumaroyl glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Anthocyanidin 5-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-3p-o-glycoside - Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 7-hydroxyflavonoid - 4'-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Cinnamic acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - Benzopyran - 1-benzopyran - Styrene - Phenol ether - Phenoxy compound - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - Oxane - Monosaccharide - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Polyol - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Primary alcohol - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anthocyanidin 5-o-6-p-coumaroyl glycosides. These are anthocyanidin 5-O-glycosides where the carbohydrate moiety is esterified at the C6 position with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring.

External Descriptors

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